5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline

C174H110N6O2S2 — CID 158318106

IUPAC5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ncccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ncccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ncccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)ccc2c1.c1coc(-c2c3ccccc3c(-c3ccco3)c3ncccc23)c1.c1csc(-c2c3ccccc3c(-c3cccs3)c3ncccc23)c1
InChIInChI=1S/C41H25N.2C33H21N.C25H17N.C21H13NO2.C21H13NS2/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)39-34-20-9-10-21-35(34)40(41-36(39)22-11-23-42-41)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-24-22(10-1)12-7-18-26(24)31-28-16-5-6-17-29(28)32(33-30(31)20-9-21-34-33)27-19-8-13-23-11-2-4-15-25(23)27;1-3-10-24-20-26(17-15-22(24)8-1)31-28-12-5-6-13-29(28)32(33-30(31)14-7-19-34-33)27-18-16-23-9-2-4-11-25(23)21-27;1-3-10-18(11-4-1)23-20-14-7-8-15-21(20)24(19-12-5-2-6-13-19)25-22(23)16-9-17-26-25;2*1-2-7-15-14(6-1)19(17-9-4-12-23-17)16-8-3-11-22-21(16)20(15)18-10-5-13-24-18/h1-25H;2*1-21H;1-17H;2*1-13H
InChIKeyGONADULGTLLPMT-UHFFFAOYSA-N
MW2380.97 g/mol
LogP48.87
Rot. Bonds12

About 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline

5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline (PubChem CID 158318106) has the molecular formula C174H110N6O2S2 and a molecular weight of 2380.97 g/mol. Its IUPAC name is 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline.

Molecular Properties

Compound Name5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline
PubChem CID158318106
Molecular FormulaC174H110N6O2S2
Molecular Weight2380.97 g/mol
Exact Mass2378.81
IUPAC Name5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ncccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ncccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ncccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)ccc2c1.c1coc(-c2c3ccccc3c(-c3ccco3)c3ncccc23)c1.c1csc(-c2c3ccccc3c(-c3cccs3)c3ncccc23)c1
InChIInChI=1S/C41H25N.2C33H21N.C25H17N.C21H13NO2.C21H13NS2/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)39-34-20-9-10-21-35(34)40(41-36(39)22-11-23-42-41)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-24-22(10-1)12-7-18-26(24)31-28-16-5-6-17-29(28)32(33-30(31)20-9-21-34-33)27-19-8-13-23-11-2-4-15-25(23)27;1-3-10-24-20-26(17-15-22(24)8-1)31-28-12-5-6-13-29(28)32(33-30(31)14-7-19-34-33)27-18-16-23-9-2-4-11-25(23)21-27;1-3-10-18(11-4-1)23-20-14-7-8-15-21(20)24(19-12-5-2-6-13-19)25-22(23)16-9-17-26-25;2*1-2-7-15-14(6-1)19(17-9-4-12-23-17)16-8-3-11-22-21(16)20(15)18-10-5-13-24-18/h1-25H;2*1-21H;1-17H;2*1-13H
InChIKeyGONADULGTLLPMT-UHFFFAOYSA-N
XLogP48.87
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms184
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002380.97
LogP ≤ 548.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline?
The IUPAC name of 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline (CID 158318106) is 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline.
What is the SMILES notation for 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline?
The canonical SMILES for 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ncccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ncccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ncccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ncccc34)ccc2c1.c1coc(-c2c3ccccc3c(-c3ccco3)c3ncccc23)c1.c1csc(-c2c3ccccc3c(-c3cccs3)c3ncccc23)c1.
What is the InChIKey of 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline?
The InChIKey is GONADULGTLLPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N.2C33H21N.C25H17N.C21H13NO2.C21H13NS2/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)39-34-20-9-10-21-35(34)40(41-36(39)22-11-23-42-41)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-24-22(10-1)12-7-18-26(24)31-28-16-5-6-17-29(28)32(33-30(31)20-9-21-34-33)27-19-8-13-23-11-2-4-15-25(23)27;1-3-10-24-20-26(17-15-22(24)8-1)31-28-12-5-6-13-29(28)32(33-30(31)14-7-19-34-33)27-18-16-23-9-2-4-11-25(23)21-27;1-3-10-18(11-4-1)23-20-14-7-8-15-21(20)24(19-12-5-2-6-13-19)25-22(23)16-9-17-26-25;2*1-2-7-15-14(6-1)19(17-9-4-12-23-17)16-8-3-11-22-21(16)20(15)18-10-5-13-24-18/h1-25H;2*1-21H;1-17H;2*1-13H.
What are the key properties of 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline?
5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline has a molecular weight of 2380.97 g/mol, XLogP of 48.87, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline is sourced from PubChem (CID 158318106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).